N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

C16H11Cl6NO2 — CID 19178203

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl6NO2/c1-6-3-7(2)15(8(17)4-6)23-9(24)5-25-16-13(21)11(19)10(18)12(20)14(16)22/h3-4H,5H2,1-2H3,(H,23,24)
InChIKeyIJGJECLWEIFNPE-UHFFFAOYSA-N
MW461.99 g/mol
LogP7.24
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (PubChem CID 19178203) has the molecular formula C16H11Cl6NO2 and a molecular weight of 461.99 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
PubChem CID19178203
Molecular FormulaC16H11Cl6NO2
Molecular Weight461.99 g/mol
Exact Mass458.89
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl6NO2/c1-6-3-7(2)15(8(17)4-6)23-9(24)5-25-16-13(21)11(19)10(18)12(20)14(16)22/h3-4H,5H2,1-2H3,(H,23,24)
InChIKeyIJGJECLWEIFNPE-UHFFFAOYSA-N
XLogP7.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
2-(2-bromo-4-chlorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 3966844
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
CID 7764012

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide (CID 19178203) is N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is Cc1cc(C)c(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
The InChIKey is IJGJECLWEIFNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl6NO2/c1-6-3-7(2)15(8(17)4-6)23-9(24)5-25-16-13(21)11(19)10(18)12(20)14(16)22/h3-4H,5H2,1-2H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide has a molecular weight of 461.99 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide is sourced from PubChem (CID 19178203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).